Cas no 305806-42-2 (Methyl 4-(thiazol-2-Yl)benzoate)

Methyl 4-(thiazol-2-Yl)benzoate structure
305806-42-2 structure
Product Name:Methyl 4-(thiazol-2-Yl)benzoate
CAS No:305806-42-2
MF:C11H9NO2S
MW:219.259661436081
MDL:MFCD08275677
CID:304212
PubChem ID:11241445
Update Time:2025-04-19

Methyl 4-(thiazol-2-Yl)benzoate Chemical and Physical Properties

Names and Identifiers

    • Methyl 4-(thiazol-2-Yl)benzoate
    • Benzoic acid,4-(2-thiazolyl)-, methyl ester
    • methyl 4-(1,3-thiazol-2-yl)benzoate
    • Methyl 4-thiazol-2-yl-benzoate
    • Benzoic acid, 4-(2-thiazolyl)-, methyl ester
    • AKOS016003840
    • DTXSID20459814
    • Methyl 4-(thiazol-2-yl)-benzoate
    • METHYL4-THIAZOL-2-YL-BENZOATE
    • AUKYMEYSRKQKSE-UHFFFAOYSA-N
    • FT-0751332
    • AMY28967
    • SCHEMBL3352615
    • 305806-42-2
    • MDL: MFCD08275677
    • Inchi: 1S/C11H9NO2S/c1-14-11(13)9-4-2-8(3-5-9)10-12-6-7-15-10/h2-7H,1H3
    • InChI Key: AUKYMEYSRKQKSE-UHFFFAOYSA-N
    • SMILES: S1C=CN=C1C1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 219.03500
  • Monoisotopic Mass: 219.03539970g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 227
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.5
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 67.43000
  • LogP: 2.59670

Methyl 4-(thiazol-2-Yl)benzoate Pricemore >>

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